2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

C17H26BrN3 — CID 66472651

IUPAC2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1cc(C(CN)N2CCC(N3CCCC3)C2)ccc1Br
InChIInChI=1S/C17H26BrN3/c1-13-10-14(4-5-16(13)18)17(11-19)21-9-6-15(12-21)20-7-2-3-8-20/h4-5,10,15,17H,2-3,6-9,11-12,19H2,1H3
InChIKeyVNNUXTPMPWKDJK-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine

2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (PubChem CID 66472651) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
PubChem CID66472651
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
SMILESCc1cc(C(CN)N2CCC(N3CCCC3)C2)ccc1Br
InChIInChI=1S/C17H26BrN3/c1-13-10-14(4-5-16(13)18)17(11-19)21-9-6-15(12-21)20-7-2-3-8-20/h4-5,10,15,17H,2-3,6-9,11-12,19H2,1H3
InChIKeyVNNUXTPMPWKDJK-UHFFFAOYSA-N
XLogP2.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
2-(2-bromo-5-chlorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 66155655
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63649279
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474831
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine (CID 66472651) is 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is Cc1cc(C(CN)N2CCC(N3CCCC3)C2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is VNNUXTPMPWKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-13-10-14(4-5-16(13)18)17(11-19)21-9-6-15(12-21)20-7-2-3-8-20/h4-5,10,15,17H,2-3,6-9,11-12,19H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine?
2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 352.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 66472651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).